5-(chloromethyl)-3-isoxazolyl N-butylcarbamate
TL;DR: 5-(chloromethyl)-3-isoxazolyl N-butylcarbamate (CAS 866154-17-8) is a chemical compound with molecular formula C9H13ClN2O3 and molecular weight 232.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(chloromethyl)-1,2-oxazol-3-yl] N-butylcarbamate
Also Known As: 5-(chloromethyl)-3-isoxazolyl N-butylcarbamate, 5-(chloromethyl)-1,2-oxazol-3-yl N-butylcarbamate, [5-(chloromethyl)-1,2-oxazol-3-yl] N-butylcarbamate, [5-(chloromethyl)isoxazol-3-yl] N-butylcarbamate, 5-(chloromethyl)-1,2-oxazol-3-ylN-butylcarbamate
| Molecular Formula | C9H13ClN2O3 |
|---|---|
| Molecular Weight | 232.06 g/mol |
| LogP | 2.3019 |
| Topological Polar Surface Area | 64.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 232.06146 |
| Heavy Atoms | 15 |
| Complexity | 314.06104 |
Chemical Identifiers
| CAS Number | 866154-17-8 |
|---|---|
| SMILES | CCCCNC(=O)OC1=NOC(=C1)CCl |
Product Overview
5-(chloromethyl)-3-isoxazolyl N-butylcarbamate (CAS 866154-17-8), with molecular formula C9H13ClN2O3 and molecular weight 232.06 g/mol. IUPAC: [5-(chloromethyl)-1,2-oxazol-3-yl] N-butylcarbamate.
Chemical Property Profile of 5-(chloromethyl)-3-isoxazolyl N-butylcarbamate
Property Insights of 5-(chloromethyl)-3-isoxazolyl N-butylcarbamate
The XLogP value of 2.3019 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(chloromethyl)-3-isoxazolyl N-butylcarbamate. The TPSA of 64.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(chloromethyl)-3-isoxazolyl N-butylcarbamate. Following Lipinski's Rule of Five, 5-(chloromethyl)-3-isoxazolyl N-butylcarbamate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(chloromethyl)-3-isoxazolyl N-butylcarbamate?
The CAS number of 5-(chloromethyl)-3-isoxazolyl N-butylcarbamate is 866154-17-8.
What is the molecular formula of 5-(chloromethyl)-3-isoxazolyl N-butylcarbamate?
The molecular formula of 5-(chloromethyl)-3-isoxazolyl N-butylcarbamate is C9H13ClN2O3.
What is the molecular weight of 5-(chloromethyl)-3-isoxazolyl N-butylcarbamate?
The molecular weight of 5-(chloromethyl)-3-isoxazolyl N-butylcarbamate is 232.06 g/mol.
Where can I buy 5-(chloromethyl)-3-isoxazolyl N-butylcarbamate?
You can request a quote for 5-(chloromethyl)-3-isoxazolyl N-butylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(chloromethyl)-3-isoxazolyl N-butylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 5-(chloromethyl)-3-isoxazolyl N-butylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.